SCHEMBL15468622

SCHEMBL15468622

c1ccc(-c2cccc(C3=NC(c4ccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc4)NC(c4ccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc4)=N3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.36
▸ NISCH Q9Y2I1 3/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ GP6 Q9HCN6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ESR1 P03372 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26690553 0.97 P2RX7 (0.40) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL15468588 0.97 NISCH (0.39) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL26692439 0.96 P2RX7 (0.39) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL22875684 0.94 P2RX7 (0.38) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL18561340 0.94 NISCH (0.39) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL19688114 0.93 CYP1A2 (0.39) P2RX7NISCHNOS2ALDH1A1MAPT
SCHEMBL22664900 0.92 GP6 (0.35) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL19012825 0.91 P2RX7 (0.40) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL15749901 0.91 ALDH1A1 (0.39) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL15860723 0.91 CYP1A2 (0.39) P2RX7NOS2MAPTTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2695882-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION CONTAINING SAID COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE Mitsubishi Chemical Corporation (JP) 2014-02-12 — — EP disclosed
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